Key points are not available for this paper at this time.
Abstract Applying electrochemical nitrate reduction reaction (NO 3 RR) to produce ammonia offers a sustainable alternative to the energy‐intensive Haber‐Bosch process, which is crucial for clean energy and agricultural applications. While 2D MXenes hold great promise as electrocatalysts for NO 3 RR, their application for ammonia production remains underexplored. This study combines experimental and theoretical approaches to evaluate the catalytic performance of a series of MXenes with different central metal atoms for NO 3 RR. Among the materials studied (Ti 3 C 2 T x , Ti 3 CNT x , Ti 2 CT x , V 2 CT x , Cr 2 CT x , Nb 2 CT x , and Ta 2 CT x ), Ti 3 ‐based MXenes exhibit superior faradaic efficiency, ammonia yield rate, and stability. Density functional theory calculations offer further insights explaining the structure‐activity‐based observations. This research establishes a foundation for future studies aimed at leveraging MXenes for electrochemical nitrate reduction for green synthesis of ammonia.
Nittoor‐Veedu et al. (Wed,) studied this question.